6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine

C18H22ClN3O — CID 134293567

IUPAC6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCC(C)c1ccnc(Nc2cc(C3CCOCC3)cc(Cl)n2)c1
InChIInChI=1S/C18H22ClN3O/c1-12(2)14-3-6-20-17(10-14)22-18-11-15(9-16(19)21-18)13-4-7-23-8-5-13/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,20,21,22)
InChIKeyKPYXBKSCYVKIPZ-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.89
Rot. Bonds4

About 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine

6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine (PubChem CID 134293567) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
PubChem CID134293567
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
SMILESCC(C)c1ccnc(Nc2cc(C3CCOCC3)cc(Cl)n2)c1
InChIInChI=1S/C18H22ClN3O/c1-12(2)14-3-6-20-17(10-14)22-18-11-15(9-16(19)21-18)13-4-7-23-8-5-13/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,20,21,22)
InChIKeyKPYXBKSCYVKIPZ-UHFFFAOYSA-N
XLogP4.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[3-[2-chloro-6-[[4-(difluoromethyl)-2-pyridinyl]amino]-4-pyridinyl]azetidin-1-yl]-3,3-dimethylbutan-1-one
CID 134293641
6-cyclopropyl-4-(4-propan-2-yloxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine
CID 134293566
N-[4-(difluoromethyl)-2-pyridinyl]-6-ethyl-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 90067480
6-(2-azabicyclo[3.1.0]hexan-2-yl)-N-(4-methyl-2-pyridinyl)-4-(oxan-4-yl)pyridin-2-amine
CID 90015475
1-[4-[2-[[4-(difluoromethyl)-2-pyridinyl]amino]-6-methyl-4-pyridinyl]piperidin-1-yl]ethanone
CID 72550271
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
CID 130369699
N-cyclopentyl-4-propan-2-ylpyridin-2-amine
CID 130369726
2-fluoro-4-(oxan-4-yl)pyridine
CID 58548478
N-[4-(difluoromethyl)-2-pyridinyl]-6-(3-methoxyazetidin-1-yl)-4-[1-(thietan-3-yl)piperidin-4-yl]pyridin-2-amine
CID 134293581
6-[(3Z)-3-(dimethylhydrazinylidene)prop-1-en-2-yl]-4-(oxan-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 134293594
6-chloro-2-cyclopropyl-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 80948779
ethane;N-(oxetan-3-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 168930336

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine (CID 134293567) is 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine is CC(C)c1ccnc(Nc2cc(C3CCOCC3)cc(Cl)n2)c1.
What is the InChIKey of 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
The InChIKey is KPYXBKSCYVKIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-12(2)14-3-6-20-17(10-14)22-18-11-15(9-16(19)21-18)13-4-7-23-8-5-13/h3,6,9-13H,4-5,7-8H2,1-2H3,(H,20,21,22).
What are the key properties of 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine?
6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine has a molecular weight of 331.85 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(oxan-4-yl)-N-(4-propan-2-yl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 134293567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).